1-(2-chloro-5-ethyl-6-methylpyrimidin-4-yl)piperidin-4-amine

C12H19ClN4 — CID 95928585

IUPAC1-(2-chloro-5-ethyl-6-methylpyrimidin-4-yl)piperidin-4-amine
SMILESCCc1c(C)nc(Cl)nc1N1CCC(N)CC1
InChIInChI=1S/C12H19ClN4/c1-3-10-8(2)15-12(13)16-11(10)17-6-4-9(14)5-7-17/h9H,3-7,14H2,1-2H3
InChIKeyRTEIWHBPTBZCIT-UHFFFAOYSA-N
MW254.76 g/mol
LogP1.93
Rot. Bonds2

About 1-(2-chloro-5-ethyl-6-methylpyrimidin-4-yl)piperidin-4-amine

1-(2-chloro-5-ethyl-6-methylpyrimidin-4-yl)piperidin-4-amine (PubChem CID 95928585) has the molecular formula C12H19ClN4 and a molecular weight of 254.76 g/mol. Its IUPAC name is 1-(2-chloro-5-ethyl-6-methylpyrimidin-4-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-(2-chloro-5-ethyl-6-methylpyrimidin-4-yl)piperidin-4-amine
PubChem CID95928585
Molecular FormulaC12H19ClN4
Molecular Weight254.76 g/mol
Exact Mass254.13
IUPAC Name1-(2-chloro-5-ethyl-6-methylpyrimidin-4-yl)piperidin-4-amine
SMILESCCc1c(C)nc(Cl)nc1N1CCC(N)CC1
InChIInChI=1S/C12H19ClN4/c1-3-10-8(2)15-12(13)16-11(10)17-6-4-9(14)5-7-17/h9H,3-7,14H2,1-2H3
InChIKeyRTEIWHBPTBZCIT-UHFFFAOYSA-N
XLogP1.93
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-chlorophenyl)-5-ethyl-6-methylpyrimidin-4-yl]piperidin-4-amine
CID 56767168
5-ethyl-4-methyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 879100
2-chloro-4-methyl-6-(3-propylpyrrolidin-1-yl)pyrimidin-5-amine
CID 114043962
1-(4,6-dichloro-1,3,5-triazin-2-yl)piperidin-4-amine
CID 129011540
[1-(2-chloro-6-methyl-5-nitropyrimidin-4-yl)piperidin-4-yl]methanol
CID 114043094
2-chloro-4,5-diethyl-6-methylpyrimidine
CID 155686934
1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-4-amine
CID 65169125
1-[2-(4-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]piperidin-4-amine
CID 56767166
5-(4-aminopiperidin-1-yl)-4,6-dimethylpyrimidin-2-amine
CID 117212562
2-(4-aminopiperidin-1-yl)-4-ethylpyridine-3,5-dicarbonitrile
CID 150377558
(R)-[1-(2-amino-5-ethyl-6-methylpyrimidin-4-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
CID 97115224
2-chloro-4-(4-ethylpiperidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidine
CID 114268212

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-ethyl-6-methylpyrimidin-4-yl)piperidin-4-amine?
The IUPAC name of 1-(2-chloro-5-ethyl-6-methylpyrimidin-4-yl)piperidin-4-amine (CID 95928585) is 1-(2-chloro-5-ethyl-6-methylpyrimidin-4-yl)piperidin-4-amine.
What is the SMILES notation for 1-(2-chloro-5-ethyl-6-methylpyrimidin-4-yl)piperidin-4-amine?
The canonical SMILES for 1-(2-chloro-5-ethyl-6-methylpyrimidin-4-yl)piperidin-4-amine is CCc1c(C)nc(Cl)nc1N1CCC(N)CC1.
What is the InChIKey of 1-(2-chloro-5-ethyl-6-methylpyrimidin-4-yl)piperidin-4-amine?
The InChIKey is RTEIWHBPTBZCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4/c1-3-10-8(2)15-12(13)16-11(10)17-6-4-9(14)5-7-17/h9H,3-7,14H2,1-2H3.
What are the key properties of 1-(2-chloro-5-ethyl-6-methylpyrimidin-4-yl)piperidin-4-amine?
1-(2-chloro-5-ethyl-6-methylpyrimidin-4-yl)piperidin-4-amine has a molecular weight of 254.76 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-ethyl-6-methylpyrimidin-4-yl)piperidin-4-amine is sourced from PubChem (CID 95928585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).